SCHEMBL2735532

SCHEMBL2735532

CC1CCCCC(NC(=O)C(N)C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.40
EPHX1 P07099 5/20 0.40
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37
DPP4 P27487 2/20 0.36
ARG1 P05089 5/20 0.36
ARG2 P78540 4/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
XIAP P98170 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2735533 0.90 MEN1 (0.40) EPHX1DPP4ARG1ARG2XIAP
SCHEMBL12824263 0.86 EPHX1 (0.47) EPHX1ALDH1A1SMN1; SMN2ATMDPP4
SCHEMBL1953168 0.86 EPHX1 (0.47) EPHX1ALDH1A1SMN1; SMN2ATMDPP4
SCHEMBL1953167 0.86 EPHX1 (0.47) EPHX1ALDH1A1SMN1; SMN2ATMDPP4
SCHEMBL8455512 0.84 EPHX1 (0.50) EPHX1ALDH1A1SMN1; SMN2ATMHPGD
SCHEMBL12311005 0.84 EPHX1 (0.50) EPHX1ALDH1A1SMN1; SMN2ATMHPGD
SCHEMBL25069101 0.83 EPHX1 (0.43) EPHX1ALDH1A1SMN1; SMN2ATMDPP4
SCHEMBL13457932 0.81 DPP4 (0.39) EPHX1ALDH1A1SMN1; SMN2ATMDPP4
SCHEMBL19842007 0.80 CPB2 (0.40) CPB2EPHX1ALDH1A1SMN1; SMN2ATM
SCHEMBL2735524 0.80 KMT2A (0.48) EPHX1ALDH1A1SMN1; SMN2DPP4ARG1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
EP-1501495-B1 USE OF PLEUROMUTILINS FOR THE TREATMENT OF DISORDERS CAUSED BY HELICOBACTER PYLORI NABRIVA THERAPEUTICS AG (AT) 2010-09-08 EP disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
EP-1875903-A1 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES Nabriva Therapeutics Forschungs GmbH (AT) 2008-01-09 EP disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH CPB2 224/4885EPHX1 2614/4885ALDH1A1 1152/4885
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH CPB2 224/4885EPHX1 2614/4885ALDH1A1 1152/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.